4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide

C22H20ClN3O3S — CID 10527153

IUPAC4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)=NN2)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(24-25-22)15-2-8-18(9-3-15)26-30(27,28)20-12-6-17(23)7-13-20/h2-13,22,25-26H,14H2,1H3
InChIKeyYLEOHPGZUSXPAL-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.59
Rot. Bonds6

About 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide

4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide (PubChem CID 10527153) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
PubChem CID10527153
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC Name4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)=NN2)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(24-25-22)15-2-8-18(9-3-15)26-30(27,28)20-12-6-17(23)7-13-20/h2-13,22,25-26H,14H2,1H3
InChIKeyYLEOHPGZUSXPAL-UHFFFAOYSA-N
XLogP4.59
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide (CID 10527153) is 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide is COc1ccc(C2CC(c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)=NN2)cc1.
What is the InChIKey of 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
The InChIKey is YLEOHPGZUSXPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(24-25-22)15-2-8-18(9-3-15)26-30(27,28)20-12-6-17(23)7-13-20/h2-13,22,25-26H,14H2,1H3.
What are the key properties of 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide has a molecular weight of 441.94 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10527153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).